SCHEMBL5813401

SCHEMBL5813401

CN1CCC(c2nc(-c3cccc(Cl)c3)c(-c3ccnc(NC4CCCCC4)n3)s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.53
KCNH2 Q12809 4/20 0.50
ADORA1 P30542 1/20 0.46
MAPK10 P53779 2/20 0.46
EGFR P00533 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPK8 P45983 2/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
AKT2 P31751 1/20 0.43
FLT4 P35916 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5817588 0.99 IKBKB (0.54) IKBKBKCNH2ADORA1MAPK10EGFR
SCHEMBL5818273 0.96 IKBKB (0.56) IKBKBKCNH2ADORA1MAPK10EGFR
SCHEMBL5811623 0.91 MAPK14 (0.51) IKBKBKCNH2MAPK10EGFRMAPK14
SCHEMBL5816759 0.90 KCNH2 (0.53) IKBKBKCNH2EGFRMAPK8KDR
SCHEMBL5817294 0.89 KCNH2 (0.53) IKBKBKCNH2EGFRMAPK8KDR
SCHEMBL5823206 0.88 IKBKB (0.52) IKBKBKCNH2ADORA1MAPK10MAPK1
SCHEMBL5818448 0.88 MAPK9 (0.50) IKBKBKCNH2EGFRCDK1CDK2
SCHEMBL5815507 0.87 IKBKB (0.53) IKBKBKCNH2ADORA1
SCHEMBL5819173 0.87 MAPK9 (0.51) IKBKBKCNH2EGFRCDK1CDK2
SCHEMBL5818450 0.86 DGAT1 (0.51) KCNH2ADORA1MAPK10MAPK1MAPK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed